FORTUNELLI, ALESSANDRO
FORTUNELLI, ALESSANDRO
Dipartimento di Scienze Chimiche e Farmaceutiche
Personale esterno ed autonomi
A Resolution of Identity Technique to Speed up TDDFT with Hybrid Functionals: Implementation and Application to the Magic Cluster Series Au8n+4(SC6H5)4n+8 (n = 3–6)
2023-01-01 D’Antoni, Pierpaolo; Medves, Marco; Toffoli, Daniele; Fortunelli, Alessandro; Stener, Mauro; Visscher, Lucas
An efficient hybrid scheme for time dependent density functional theory
2020-01-01 Medves, M.; Sementa, L.; Toffoli, D.; Fronzoni, G.; Fortunelli, A.; Stener, M.
Atomically precise Au 144 (SR) 60 nanoclusters (R = Et, Pr) are capped by 12 distinct ligand types of 5-fold equivalence and display gigantic diastereotopic effects
2018-01-01 Dainese, Tiziano; Agrachev, Mikhail; Antonello, Sabrina; Badocco, Denis; Black, David M.; Fortunelli, Alessandro; Gascón, José A.; Stener, Mauro; Venzo, Alfonso; Whetten, Robert L.; Maran, Flavio
Au279(SR)84: The Smallest Gold Thiolate Nanocrystal That Is Metallic and the Birth of Plasmon
2018-01-01 Sakthivel, Naga Arjun; Stener, Mauro; Sementa, Luca; Fortunelli, Alessandro; Ramakrishna, Guda; Dass, Amala
Au36(SePh)24 nanomolecules: Synthesis, optical spectroscopy and theoretical analysis
2018-01-01 Rambukwella, Milan; Chang, Le; Ravishanker, Anish; Fortunelli, Alessandro; Stener, Mauro; Dass, Amala
Circularly Polarized Plasmons in Chiral Gold Nanowires via Quantum-Mechanical Design
2021-01-01 Toffoli, Daniele; Russi, Andrea; Fronzoni, Giovanna; Coccia, Emanuele; Stener, Mauro; Sementa, Luca; Fortunelli, Alessandro
Coupling between Plasmonic and Molecular Excitations: TDDFT Investigation of an Ag-Nanorod/BODIPY-Dye Interaction
2022-01-01 Medves, Marco; Toffoli, Daniele; Stener, Mauro; Sementa, Luca; Fortunelli, Alessandro
Crystal Structure of Au36-xAgx(SPh- tBu)24 Nanoalloy and the Role of Ag Doping in Excited State Coupling
2019-01-01 Sakthivel, N. A.; Stener, M.; Sementa, L.; Medves, M.; Ramakrishna, G.; Fortunelli, A.; Oliver, A. G.; Dass, A.
Intense fluorescence of Au20
2017-01-01 Yu, Chongqi; Harbich, Wolfgang; Sementa, Luca; Ghiringhelli, Luca; Aprã¡, Edoardo; Stener, Mauro; Fortunelli, Alessandro; Brune, Harald
Optical Activity of Metal Nanoclusters Deposited on Regular and Doped Oxide Supports from First-Principles Simulations
2021-01-01 Sementa, Luca; Stener, Mauro; Fortunelli, Alessandro
Optical Properties and Chemical Ordering of Ag-Pt Nanoalloys: A Computational Study
2019-01-01 Olobardi, S.; Vega, L.; Fortunelli, A.; Stener, M.; Vines, F.; Neyman, K. M.
Plasmonic circular dichroism in chiral gold nanowire dimers
2022-01-01 Toffoli, D.; Medves, M.; Fronzoni, G.; Coccia, E.; Stener, M.; Sementa, L.; Fortunelli, A.
Predictions of Chemical Shifts for Reactive Intermediates in CO2 Reduction under Operando Conditions
2021-01-01 Yang, Hao; Negreiros, Fabio Ribeiro; Sun, Qintao; Xie, Miao; Sementa, Luca; Stener, Mauro; Ye, Yifan; Fortunelli, Alessandro; Goddard, William A; Cheng, Tao
Predictive optical photoabsorption of Ag24Au(DMBT)18-via efficient TDDFT simulations
2021-01-01 Medves, M.; Sementa, L.; Toffoli, D.; Fronzoni, G.; Krishnadas, K. R.; Burgi, T.; Bonacchi, S.; Dainese, T.; Maran, F.; Fortunelli, A.; Stener, M.
The Conformational Dynamics of the Ligands Determines the Electronic Circular Dichroism of the Chiral Au38(SC2H4Ph)24 Cluster
2023-01-01 Monti, M; Brancolini, G; Coccia, E; Toffoli, D; Fortunelli, A; Corni, S; Aschi, M; Stener, M
What Contributes to the Measured Chiral Optical Response of the Glutathione-Protected Au25 Nanocluster?
2023-01-01 Monti, Marta; Matus, María Francisca; Malola, Sami; Fortunelli, Alessandro; Aschi, Massimiliano; Stener, Mauro; Häkkinen, Hannu